6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C28H36N8O2 — CID 44536354

IUPAC6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1CCN(c2ccc3nccc(CCN4CCC(NCc5ccc6c(n5)NC(=O)CO6)CC4)c3n2)CC1
InChIInChI=1S/C28H36N8O2/c1-34-14-16-36(17-15-34)25-5-3-23-27(32-25)20(6-10-29-23)7-11-35-12-8-21(9-13-35)30-18-22-2-4-24-28(31-22)33-26(37)19-38-24/h2-6,10,21,30H,7-9,11-19H2,1H3,(H,31,33,37)
InChIKeyCUSVTZGWSDWACT-UHFFFAOYSA-N
MW516.65 g/mol
LogP1.90
Rot. Bonds7

About 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 44536354) has the molecular formula C28H36N8O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID44536354
Molecular FormulaC28H36N8O2
Molecular Weight516.65 g/mol
Exact Mass516.30
IUPAC Name6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1CCN(c2ccc3nccc(CCN4CCC(NCc5ccc6c(n5)NC(=O)CO6)CC4)c3n2)CC1
InChIInChI=1S/C28H36N8O2/c1-34-14-16-36(17-15-34)25-5-3-23-27(32-25)20(6-10-29-23)7-11-35-12-8-21(9-13-35)30-18-22-2-4-24-28(31-22)33-26(37)19-38-24/h2-6,10,21,30H,7-9,11-19H2,1H3,(H,31,33,37)
InChIKeyCUSVTZGWSDWACT-UHFFFAOYSA-N
XLogP1.90
TPSA98.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 44536354) is 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is CN1CCN(c2ccc3nccc(CCN4CCC(NCc5ccc6c(n5)NC(=O)CO6)CC4)c3n2)CC1.
What is the InChIKey of 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is CUSVTZGWSDWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O2/c1-34-14-16-36(17-15-34)25-5-3-23-27(32-25)20(6-10-29-23)7-11-35-12-8-21(9-13-35)30-18-22-2-4-24-28(31-22)33-26(37)19-38-24/h2-6,10,21,30H,7-9,11-19H2,1H3,(H,31,33,37).
What are the key properties of 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 516.65 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 44536354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).